N,N-bis(2-cyanoethyl)-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N,N-bis(2-cyanoethyl)-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N,N-bis(2-cyanoethyl)-2-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N,N-bis(2-cyanoethyl)-2-[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]acetamide Formula: C22H20N6O2S MolecularWeight: 432.4982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C22H20N6O2S/c1-16-8-11-25-19(14-16)28-21(30)17-6-2-3-7-18(17)26-22(28)31-15-20(29)27(12-4-9-23)13-5-10-24/h2-3,6-8,11,14H,4-5,12-13,15H2,1H3